Cas no 14798-26-6 (2,4,6-trinitrophenolate)
2,4,6-trinitrophenolate structure
Product Name:2,4,6-trinitrophenolate
CAS No:14798-26-6
MF:C6H2N3O7
MW:228.095981121063
CID:1319344
PubChem ID:4432340
Update Time:2025-04-20
2,4,6-trinitrophenolate Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-trinitrophenolate
- phenol, 2,4,6-trinitro-, ion(1-)
- 2,4,6-Trinitrophenoxide
- Picric acidanion
- [2-(2-phenylethyl)phenyl]azanium
- bis(3-azaniumylpropyl)-[2-(dimethylazaniumyl)ethyl]azanium
- Pertite
- 14798-26-6
- picrate
- picrate ion
- 2,4,6-trinitrophenolate ion
- 2,4,6-trinitrophenoxide ion
- CHEBI:86297
- OXNIZHLAWKMVMX-UHFFFAOYSA-M
- 2,4,6-TNP
- Q27159059
- Shimose
- picrate anion
- DTXSID00403239
- SCHEMBL8744
- Lyddite
-
- Inchi： 1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H/p-1
- InChI Key： OXNIZHLAWKMVMX-UHFFFAOYSA-M
- SMILES： [O-]C1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 227.98926
- Monoisotopic Mass: 227.989
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 292
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 161A^2
Experimental Properties
- Boiling Point: 303.56°C at 760 mmHg
- Flash Point: 133.896°C
- PSA: 152.48
2,4,6-trinitrophenolate Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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